SCHEMBL6177946

SCHEMBL6177946

COc1ccc(CC(CCc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LDHA P00338 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP12 P39900 1/20 0.50
MMP3 P08254 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6177637 0.90 LDHA (0.60) MMP1MMP2MMP9LDHAPPARG
SCHEMBL27535165 0.89 ALDH1A1 (0.56) MMP1MMP2MMP9ALDH1A1LDHA
SCHEMBL11221992 0.88 LDHA (0.53) MMP1MMP2MMP9ALDH1A1LDHA
SCHEMBL11221835 0.85 LDHA (0.66) MMP1MMP2MMP9LDHAPPARG
SCHEMBL6181872 0.82 TRPV1 (0.55) MMP2MMP9KDM4EMMP12FFAR1
SCHEMBL27430567 0.81 LDHA (0.60) MMP1MMP2MMP9LDHAPPARG
SCHEMBL6176616 0.80 MMP3 (0.60) ALDH1A1LDHAPPARGPPARANPC1
SCHEMBL11232617 0.80 CALM1 (0.51) MMP1MMP2ALDH1A1LDHAKMT2A
SCHEMBL18065715 0.78 MMP12 (0.56) MMP2MMP9MMP12FFAR1
SCHEMBL11775034 0.78 LTA4H (0.67) ALDH1A1LDHAPPARGPPARAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR MMP1 444/4885MMP2 443/4885MMP9 570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.